Name: BI-1230
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212669460
Cas No:849022-32-8
常用名:BI-1230
IUPAC:(1S,4R,6S,7Z,14S,18R)-14-{[(cyclopentyloxy)carbonyl]amino}-18-({7-methoxy-8-methyl-2-[2-(2-methylpropanamido)-1,3-thiazol-4-yl]quinolin-4-yl}oxy)-2,15-dioxo-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-ene-4-carboxylic acid
IUPAC:(1S,4R,6S,7Z,14S,18R)-14-{[(cyclopentyloxy)carbonyl]amino}-18-({7-methoxy-8-methyl-2-[2-(2-methylpropanamido)-1,3-thiazol-4-yl]quinolin-4-yl}oxy)-2,15-dioxo-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-ene-4-carboxylic acid
InChI key:YQCVJBZPFAJZFJ-XPQGHQSRSA-N

分子式:C42H52N6O9S
分子量:816.97
氢键供体数 (HBD):4
氢键受体数 (HBA):10
LogP:6.1601734
SMILES:[H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)OC1CCCC1)Oc1cc(nc2c(C)c(OC)ccc12)-c1csc(NC(=O)C(C)C)n1)C(O)=O |c:23|
SMILES:[H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)OC1CCCC1)Oc1cc(nc2c(C)c(OC)ccc12)-c1csc(NC(=O)C(C)C)n1)C(O)=O |c:23|

BI-1230 is a potent inhibitor of HCV NS3 protease, exhibiting efficacy in the low nanomolar range, and notably suppresses viral replication. This compound demonstrates high selectivity, distinguishing effectively between other serine/cysteine proteases. Additionally, BI-1230 exhibits favorable pharmacokinetic (PK) properties[1].

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